Vitas-M small molecule compound
ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK895353
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1cccs1)/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H20N2O3S3 MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S3/c1-4-27-21(26)18-13(2)23-22-24(19(18)14-7-9-15(28-3)10-8-14)20(25)17(30-22)12-16-6-5-11-29-16/h5-12,19H,4H2,1-3H3/b17-12-InChIKey
ZWWCESCVUXVNGD-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1cccs1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC=CS4)S2)C
ethyl(2Z)7methyl5(4(methylsulfanyl)phenyl)3oxo2(thiophen2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL5(4METHYLSULFANYLPHENYL)3OXO2(THIOPHEN2YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H20N2O3S3c142721(26)1813(2)232224(19(18)147915(283)10814)20(25)17(3022)121665112916h51219H4H213H3b1712
MFCD02190228
ZINC000002532996
ZINC000002681873
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